input word = C00005359

Metabolite InformationStructural formula
Name Sexangularetin 3-rutinoside
Formula C28H32O16
Mw 624.16903498
CAS RN 64803-70-9
C_ID C00005359 ,
InChIKey CKKHEHXMWKSCAU-IUPVXKQDNA-N
InChICode InChI=1S/C28H32O16/c1-9-16(32)19(35)21(37)27(41-9)40-8-14-17(33)20(36)22(38)28(42-14)44-26-18(34)15-12(30)7-13(31)24(39-2)25(15)43-23(26)10-3-5-11(29)6-4-10/h3-7,9,14,16-17,19-22,27-33,35-38H,8H2,1-2H3/t9-,14-,16+,17+,19+,20+,21-,22-,27-,28+/m1/s1
SMILES COc1c(O)cc(O)c2c(=O)c(O[C@@H]3OC(CO[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)[C@@H](O)C(O)C3O)c(-c3ccc(O)cc3)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeFagonia arabica Ref.
PlantaeZygophyllaceaeFagonia boulosii Ref.
PlantaeZygophyllaceaeFagonia taeckholmiana Ref.
PlantaeZygophyllaceaeFagonia thebaica Ref.
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